N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-bromobenzamide

C11H13BrN2O2 — CID 55137937

IUPACN-(1-amino-2-methyl-1-oxopropan-2-yl)-4-bromobenzamide
SMILESCC(C)(NC(=O)c1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C11H13BrN2O2/c1-11(2,10(13)16)14-9(15)7-3-5-8(12)6-4-7/h3-6H,1-2H3,(H2,13,16)(H,14,15)
InChIKeyPCJWUZKWMOCYOW-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.44
Rot. Bonds3

About N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-bromobenzamide

N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-bromobenzamide (PubChem CID 55137937) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-bromobenzamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-4-bromobenzamide
PubChem CID55137937
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-4-bromobenzamide
SMILESCC(C)(NC(=O)c1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C11H13BrN2O2/c1-11(2,10(13)16)14-9(15)7-3-5-8(12)6-4-7/h3-6H,1-2H3,(H2,13,16)(H,14,15)
InChIKeyPCJWUZKWMOCYOW-UHFFFAOYSA-N
XLogP1.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-bromobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2-methyl-1-oxopropan-2-yl)-3,5-dibromobenzamide
CID 103908225
3-[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 76928627
4-bromo-N-(1-chloro-2-methylpropan-2-yl)benzamide
CID 114295185
N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromothiophene-3-carboxamide
CID 61219456
4-bromo-N-(2-phenylpropan-2-yl)benzamide
CID 47444769
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-6-bromonaphthalene-2-carboxamide
CID 115353856
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107027425
3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methoxybenzamide
CID 61212548
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-hydroxybenzamide
CID 61126113
4-bromo-N-tert-butylbenzamide;N-tert-butyl-4-ethynylbenzamide
CID 158634627
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pyridine-4-carboxamide
CID 62184832

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-bromobenzamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-bromobenzamide (CID 55137937) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-bromobenzamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-bromobenzamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-bromobenzamide is CC(C)(NC(=O)c1ccc(Br)cc1)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-bromobenzamide?
The InChIKey is PCJWUZKWMOCYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-11(2,10(13)16)14-9(15)7-3-5-8(12)6-4-7/h3-6H,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-bromobenzamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-bromobenzamide has a molecular weight of 285.14 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-bromobenzamide is sourced from PubChem (CID 55137937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).